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11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide

PropertiesImage
MNX_IDMNXM116095 Image of MNXM116095
referencechebi:174807
formulaC22H30O4
global charge0
mol weight358.478
InChIKeyBMUVJFGCCPHXOJ-UHFFFAOYSA-N
InChIInChI=1S/C22H30O4/c1-12(2)13-10-14-15-11-16-21(3,4)8-7-9-22(16,20(23)26-15)17(14)19(25-6)18(13)24-5/h10,12,15-16H,7-9,11H2,1-6H3
SMILESCOC1=C(OC)C2=C(C=C1C(C)C)C1CC3C(C)(C)CCCC23C(=O)O1
MNX internals
InChI (mnx)InChI=1/C22H30O4/c1-12(2)13-10-14-15-11-16-21(3,4)8-7-9-22(16,20(23)26-15)17(14)19(25-6)18(13)24-5/h10,12,15-16H,7-9,11H2,1-6H3/t15?,16?,22? Image of MNXM116095
SMILES (mnx)[CH3:1][CH:12]([CH3:2])[C:13]1=[CH:10][C:14]2=[C:17]([C:19]([O:25][CH3:6])=[C:18]1[O:24][CH3:5])[C:22]13[CH2:9][CH2:7][CH2:8][C:21]([CH3:3])([CH3:4])[CH:16]1[CH2:11][CH:15]2[O:26][C:20]3=[O:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174807
chebi:174807
BMUVJFGCCPHXOJ-UHFFFAOYSA-N
11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide
3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
hmdb:HMDB0035856
BMUVJFGCCPHXOJ-UHFFFAOYSA-N
11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide
3,4-dimethoxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one
5-isopropyl-3,4-dimethoxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one

hmdb:HMDB35856
secondary/obsolete/fantasy identifier